General Information of the Compound
| Compound ID |
CP0387884
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| Compound Name |
2-[1-(4-benzamidobenzoyl)isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C25H18N2O4
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| Molecular Weight |
410.429
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H18N2O4/c28-22(29)14-18-15-26-23(21-9-5-4-8-20(18)21)24(30)16-10-12-19(13-11-16)27-25(31)17-6-2-1-3-7-17/h1-13,15H,14H2,(H,27,31)(H,28,29)
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| InChIKey |
NDBJTRRXZVVGMK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound